N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine

C14H22N2O — CID 115118890

IUPACN-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1c(C)cc(CNC2CCNC2)cc1C
InChIInChI=1S/C14H22N2O/c1-10-6-12(7-11(2)14(10)17-3)8-16-13-4-5-15-9-13/h6-7,13,15-16H,4-5,8-9H2,1-3H3
InChIKeyYGDOCWWSAWAKTN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.76
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine

N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 115118890) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
PubChem CID115118890
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1c(C)cc(CNC2CCNC2)cc1C
InChIInChI=1S/C14H22N2O/c1-10-6-12(7-11(2)14(10)17-3)8-16-13-4-5-15-9-13/h6-7,13,15-16H,4-5,8-9H2,1-3H3
InChIKeyYGDOCWWSAWAKTN-UHFFFAOYSA-N
XLogP1.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
CID 115118851
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115118996
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352
1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
CID 115592095
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 115118837
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 43276848

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine (CID 115118890) is N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine is COc1c(C)cc(CNC2CCNC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is YGDOCWWSAWAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-12(7-11(2)14(10)17-3)8-16-13-4-5-15-9-13/h6-7,13,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine?
N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115118890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).